N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide Traditional Name: 2-keto-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide Formula: C27H38N4O3+2 MolecularWeight: 466.61562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC=C(NC2=O)C[NH+]3CCC4=CC=CC=C4C3)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC=C(NC2=O)C[NH+]3CCC4=CC=CC=C4C3)[NH+]5CCOCC5

InChI

InChI=1S/C27H36N4O3/c32-25(28-20-27(11-4-1-5-12-27)31-14-16-34-17-15-31)24-9-8-23(29-26(24)33)19-30-13-10-21-6-2-3-7-22(21)18-30/h2-3,6-9H,1,4-5,10-20H2,(H,28,32)(H,29,33)/p+2